2,6-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)oxan-4-amine

C12H25NOS — CID 115907832

IUPAC2,6-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)oxan-4-amine
SMILESCSC(C)(C)CNC1CC(C)OC(C)C1
InChIInChI=1S/C12H25NOS/c1-9-6-11(7-10(2)14-9)13-8-12(3,4)15-5/h9-11,13H,6-8H2,1-5H3
InChIKeyOXQQMMDDGDXXSF-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.67
Rot. Bonds4

About 2,6-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)oxan-4-amine

2,6-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)oxan-4-amine (PubChem CID 115907832) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 2,6-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)oxan-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)oxan-4-amine
PubChem CID115907832
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name2,6-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)oxan-4-amine
SMILESCSC(C)(C)CNC1CC(C)OC(C)C1
InChIInChI=1S/C12H25NOS/c1-9-6-11(7-10(2)14-9)13-8-12(3,4)15-5/h9-11,13H,6-8H2,1-5H3
InChIKeyOXQQMMDDGDXXSF-UHFFFAOYSA-N
XLogP2.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)oxan-4-amine?
The IUPAC name of 2,6-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)oxan-4-amine (CID 115907832) is 2,6-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)oxan-4-amine.
What is the SMILES notation for 2,6-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)oxan-4-amine?
The canonical SMILES for 2,6-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)oxan-4-amine is CSC(C)(C)CNC1CC(C)OC(C)C1.
What is the InChIKey of 2,6-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)oxan-4-amine?
The InChIKey is OXQQMMDDGDXXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-9-6-11(7-10(2)14-9)13-8-12(3,4)15-5/h9-11,13H,6-8H2,1-5H3.
What are the key properties of 2,6-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)oxan-4-amine?
2,6-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)oxan-4-amine has a molecular weight of 231.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)oxan-4-amine is sourced from PubChem (CID 115907832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).